4-aminobutyl(diaminomethylidene)azanium

C5H15N4+ — CID 4569196

IUPAC4-aminobutyl(diaminomethylidene)azanium
SMILESNCCCC[NH+]=C(N)N
InChIInChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)/p+1
InChIKeyQYPPJABKJHAVHS-UHFFFAOYSA-O
MW131.20 g/mol
LogP-2.92
Rot. Bonds4

About 4-aminobutyl(diaminomethylidene)azanium

4-aminobutyl(diaminomethylidene)azanium (PubChem CID 4569196) has the molecular formula C5H15N4+ and a molecular weight of 131.20 g/mol. Its IUPAC name is 4-aminobutyl(diaminomethylidene)azanium.

Molecular Properties

Compound Name4-aminobutyl(diaminomethylidene)azanium
PubChem CID4569196
Molecular FormulaC5H15N4+
Molecular Weight131.20 g/mol
Exact Mass131.13
IUPAC Name4-aminobutyl(diaminomethylidene)azanium
SMILESNCCCC[NH+]=C(N)N
InChIInChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)/p+1
InChIKeyQYPPJABKJHAVHS-UHFFFAOYSA-O
XLogP-2.92
TPSA92.03 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 5-2.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-aminobutyl(diaminomethylidene)azanium?
The IUPAC name of 4-aminobutyl(diaminomethylidene)azanium (CID 4569196) is 4-aminobutyl(diaminomethylidene)azanium.
What is the SMILES notation for 4-aminobutyl(diaminomethylidene)azanium?
The canonical SMILES for 4-aminobutyl(diaminomethylidene)azanium is NCCCC[NH+]=C(N)N.
What is the InChIKey of 4-aminobutyl(diaminomethylidene)azanium?
The InChIKey is QYPPJABKJHAVHS-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)/p+1.
What are the key properties of 4-aminobutyl(diaminomethylidene)azanium?
4-aminobutyl(diaminomethylidene)azanium has a molecular weight of 131.20 g/mol, XLogP of -2.92, 4 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobutyl(diaminomethylidene)azanium is sourced from PubChem (CID 4569196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).